1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea

C18H21FN2O — CID 47032089

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O/c1-12(2)16-6-4-5-7-17(16)21-18(22)20-13(3)14-8-10-15(19)11-9-14/h4-13H,1-3H3,(H2,20,21,22)
InChIKeyHHQLGMULBQJFQH-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.83
Rot. Bonds4

About 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea

1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 47032089) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID47032089
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O/c1-12(2)16-6-4-5-7-17(16)21-18(22)20-13(3)14-8-10-15(19)11-9-14/h4-13H,1-3H3,(H2,20,21,22)
InChIKeyHHQLGMULBQJFQH-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-bromophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 3676665
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298075
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
CID 43508295
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea (CID 47032089) is 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is HHQLGMULBQJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12(2)16-6-4-5-7-17(16)21-18(22)20-13(3)14-8-10-15(19)11-9-14/h4-13H,1-3H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea?
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 300.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 47032089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).